CID 361925

Nsc625399

Structural Information

Molecular Formula
C15H29NO6P2
SMILES
CCOP(=O)(CC1=CC=C(N1C)CP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C15H29NO6P2/c1-6-19-23(17,20-7-2)12-14-10-11-15(16(14)5)13-24(18,21-8-3)22-9-4/h10-11H,6-9,12-13H2,1-5H3
InChIKey
XRLHYAYXGOHCBR-UHFFFAOYSA-N
Compound name
2,5-bis(diethoxyphosphorylmethyl)-1-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.147 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15428 193.0
[M+Na]+ 404.13622 198.3
[M-H]- 380.13972 192.5
[M+NH4]+ 399.18082 206.4
[M+K]+ 420.11016 198.4
[M+H-H2O]+ 364.14426 181.6
[M+HCOO]- 426.14520 223.1
[M+CH3COO]- 440.16085 219.9
[M+Na-2H]- 402.12167 191.5
[M]+ 381.14645 205.3
[M]- 381.14755 205.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.